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MMsINC code: MMs02651688

Type: Neutral
Formula: C₂₀H₃₂N₂O₃

SMILES:

O(C)c1c(cccc1OC)CN1CCC(CC1)C(=O)NCCC(C)C

InChI:

InChI=1/C20H32N2O3/c1-15(2)8-11-21-20(23)16-9-12-22(13-10-16)14-17-6-5-7-18(24-3)19(17)25-4/h5-7,15-16H,8-14H2,1-4H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6203 kcal/mol

Physical Properties
Molecular Weight: 348.487 g/mol	logS: -3.39794	SlogP: 3.3445	Reactive groups: 0

Topological Properties
Globularity: 0.0792218	Sterimol/B1: 2.74215	Sterimol/B2: 3.86468	Sterimol/B3: 5.98303
Sterimol/B4: 6.56328	Sterimol/L: 18.7789

Surface and Volume Properties
Accessible surface: 665.448	Positive charged surface: 533.659	Negative charged surface: 131.79	Volume: 367.5
Hydrophobic surface: 568.94	Hydrophilic surface: 96.508

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02651689
PUBCHEM-ZINC00299578